SCHEMBL5029950

SCHEMBL5029950

NC(=O)C(Cc1ccccc1)NC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.44
HPGDS O60760 6/20 0.44
CTSA P10619 3/20 0.43
FCER2 P06734 2/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
PYGL P06737 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
DCAF1 Q9Y4B6 1/20 0.40
CNR2 P34972 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5031128 0.89 SCN9A (0.48) SCN9ACTSAROCK2ROCK1CNR2
SCHEMBL5032419 0.84 SCN9A (0.46) SCN9ACTSACNR2
SCHEMBL5034282 0.84 CAPN1 (0.42) SCN9AHPGDSFCER2MMP3MMP9
SCHEMBL4136209 0.80 EGLN1 (0.41)
SCHEMBL13927645 0.79 CNR2 (0.42) SCN9ACTSAROCK2ROCK1CNR2
SCHEMBL4149599 0.78 MAP2K4 (0.52)
SCHEMBL4136211 0.77 MAP2K4 (0.45)
SCHEMBL13927646 0.76 CTSA (0.43) CTSACNR2
SCHEMBL13927643 0.75 MAP4K4 (0.46)
SCHEMBL4149434 0.75 DYRK1A (0.52) HPGDS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SCN9A 2678/4885HPGDS 3567/4885CTSA 3581/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.